Crystallography Open Database

Information card for entry 8106816

Preview

Coordinates	8106816.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H9 N3 S
Calculated formula	C15 H9 N3 S
Title of publication	Crystal structure of (E)-2-(benzo[d]thiazol-2-yl)-3-(pyridin-3-yl)acrylonitrile)
Authors of publication	De-La-Torre, Pedro; Gutierrez, Margarita; Caballero, Julio; Trilleras, Jorge; Astudillo, Luis; Cardenas, Alejandro; Brito, Ivan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	1
Pages of publication	171 - 173
a	9.5737 ± 0.0005 Å
b	12.0958 ± 0.0004 Å
c	12.2705 ± 0.0007 Å
α	64.083 ± 0.005°
β	80.907 ± 0.004°
γ	82.8 ± 0.004°
Cell volume	1259.44 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0379
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.0974
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/8106816.html